1,4-bis(fluoromethyl)-4,5-dihydroimidazole

C5H8F2N2 — CID 173378840

IUPAC1,4-bis(fluoromethyl)-4,5-dihydroimidazole
SMILESFCC1CN(CF)C=N1
InChIInChI=1S/C5H8F2N2/c6-1-5-2-9(3-7)4-8-5/h4-5H,1-3H2
InChIKeyUATMWRUIZBYQTA-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.60
Rot. Bonds2

About 1,4-bis(fluoromethyl)-4,5-dihydroimidazole

1,4-bis(fluoromethyl)-4,5-dihydroimidazole (PubChem CID 173378840) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 1,4-bis(fluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1,4-bis(fluoromethyl)-4,5-dihydroimidazole
PubChem CID173378840
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name1,4-bis(fluoromethyl)-4,5-dihydroimidazole
SMILESFCC1CN(CF)C=N1
InChIInChI=1S/C5H8F2N2/c6-1-5-2-9(3-7)4-8-5/h4-5H,1-3H2
InChIKeyUATMWRUIZBYQTA-UHFFFAOYSA-N
XLogP0.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(fluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 1,4-bis(fluoromethyl)-4,5-dihydroimidazole (CID 173378840) is 1,4-bis(fluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1,4-bis(fluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1,4-bis(fluoromethyl)-4,5-dihydroimidazole is FCC1CN(CF)C=N1.
What is the InChIKey of 1,4-bis(fluoromethyl)-4,5-dihydroimidazole?
The InChIKey is UATMWRUIZBYQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c6-1-5-2-9(3-7)4-8-5/h4-5H,1-3H2.
What are the key properties of 1,4-bis(fluoromethyl)-4,5-dihydroimidazole?
1,4-bis(fluoromethyl)-4,5-dihydroimidazole has a molecular weight of 134.13 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(fluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 173378840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).